N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide

C19H18N2O3 — CID 169414234

IUPACN-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
SMILESCOc1cc(O)ccc1-c1cc(C)c2cc(NC(C)=O)ccc2n1
InChIInChI=1S/C19H18N2O3/c1-11-8-18(15-6-5-14(23)10-19(15)24-3)21-17-7-4-13(9-16(11)17)20-12(2)22/h4-10,23H,1-3H3,(H,20,22)
InChIKeyMLNTYHARBGFZFJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide

N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide (PubChem CID 169414234) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
PubChem CID169414234
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
SMILESCOc1cc(O)ccc1-c1cc(C)c2cc(NC(C)=O)ccc2n1
InChIInChI=1S/C19H18N2O3/c1-11-8-18(15-6-5-14(23)10-19(15)24-3)21-17-7-4-13(9-16(11)17)20-12(2)22/h4-10,23H,1-3H3,(H,20,22)
InChIKeyMLNTYHARBGFZFJ-UHFFFAOYSA-N
XLogP3.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide?
The IUPAC name of N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide (CID 169414234) is N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide?
The canonical SMILES for N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide is COc1cc(O)ccc1-c1cc(C)c2cc(NC(C)=O)ccc2n1.
What is the InChIKey of N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide?
The InChIKey is MLNTYHARBGFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-8-18(15-6-5-14(23)10-19(15)24-3)21-17-7-4-13(9-16(11)17)20-12(2)22/h4-10,23H,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide?
N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 169414234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).